4-(2,4-diethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-oxidanyl-benzoic acid perchlorate

Systemtic Name: 4-(2,4-diethyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-oxidanyl-benzoic acid perchlorate Openeye Name: 4-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-hydroxy-benzoic acid perchlorate CAS Name: 4-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-hydroxybenzoic acid perchlorate IUPAC Name: 4-(2,4-diethyl-6-oxo-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-hydroxybenzoic acid perchlorate Traditional Name: 4-(2,4-diethyl-6-keto-5-phenyl-1H-pyrimidin-3-ium-3-yl)-2-hydroxy-benzoic acid perchlorate Formula: C21H21ClN2O8 MolecularWeight: 464.85304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC(=[N+]1C2=CC(=C(C=C2)C(=O)O)O)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=C(C(=O)NC(=[N+]1C2=CC(=C(C=C2)C(=O)O)O)CC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H20N2O4.ClHO4/c1-3-16-19(13-8-6-5-7-9-13)20(25)22-18(4-2)23(16)14-10-11-15(21(26)27)17(24)12-14;2-1(3,4)5/h5-12H,3-4H2,1-2H3,(H2,24,26,27);(H,2,3,4,5)